Chemical ID: 6702866

c1ccc(c(c1)C(F)(F)F)NC(=O)C=CC(=O)[O-]
Chemical ID:
6702866
Name [?]:
4-oxo-4-[2-(trifluoromethyl)phenyl]amino-but-2-enoate
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC(=O)C=CC(=O)[O-]
InChi [?]:
InChI=1/C11H8F3NO3/c12-11(13,14)7-3-1-2-4-8(7)15-9(16)5-6-10(17)18/h1-6H,(H,15,16)(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,15,5,4,12,16,7,8,9,10,11,13,17,18/E:(12,13,14)(17,18)/rA:18nCCCCCCCFFFNCOCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s12;w14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7F3NO3-
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-36.4979
Area:393.183
Solvation:-46.3275
Coulombic:-33.3419
Bond Count [?]
All:18
Single:12
Double:6
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:258.173
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.38
LogP (Chemaxon):2.47

Name Annotations

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Descriptor Annotations

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